(E)-2,5-dimethylhex-2-enamide

C8H15NO — CID 87134953

IUPAC(E)-2,5-dimethylhex-2-enamide
SMILESC/C(=C\CC(C)C)C(N)=O
InChIInChI=1S/C8H15NO/c1-6(2)4-5-7(3)8(9)10/h5-6H,4H2,1-3H3,(H2,9,10)/b7-5+
InChIKeyOMJIIKFXJPEYCZ-FNORWQNLSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds3

About (E)-2,5-dimethylhex-2-enamide

(E)-2,5-dimethylhex-2-enamide (PubChem CID 87134953) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-2,5-dimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-2,5-dimethylhex-2-enamide
PubChem CID87134953
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-2,5-dimethylhex-2-enamide
SMILESC/C(=C\CC(C)C)C(N)=O
InChIInChI=1S/C8H15NO/c1-6(2)4-5-7(3)8(9)10/h5-6H,4H2,1-3H3,(H2,9,10)/b7-5+
InChIKeyOMJIIKFXJPEYCZ-FNORWQNLSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethylhex-2-enamide?
The IUPAC name of (E)-2,5-dimethylhex-2-enamide (CID 87134953) is (E)-2,5-dimethylhex-2-enamide.
What is the SMILES notation for (E)-2,5-dimethylhex-2-enamide?
The canonical SMILES for (E)-2,5-dimethylhex-2-enamide is C/C(=C\CC(C)C)C(N)=O.
What is the InChIKey of (E)-2,5-dimethylhex-2-enamide?
The InChIKey is OMJIIKFXJPEYCZ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)4-5-7(3)8(9)10/h5-6H,4H2,1-3H3,(H2,9,10)/b7-5+.
What are the key properties of (E)-2,5-dimethylhex-2-enamide?
(E)-2,5-dimethylhex-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethylhex-2-enamide is sourced from PubChem (CID 87134953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).